(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one

C15H21NO2 — CID 10399733

IUPAC(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCCCC1)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(14(17)13-8-4-2-5-9-13)15(18)16-10-6-3-7-11-16/h2,4-5,8-9,12,14,17H,3,6-7,10-11H2,1H3/t12-,14+/m0/s1
InChIKeyQPDPZOMKMRLXCH-GXTWGEPZSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds3

About (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one

(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one (PubChem CID 10399733) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one
PubChem CID10399733
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCCCC1)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(14(17)13-8-4-2-5-9-13)15(18)16-10-6-3-7-11-16/h2,4-5,8-9,12,14,17H,3,6-7,10-11H2,1H3/t12-,14+/m0/s1
InChIKeyQPDPZOMKMRLXCH-GXTWGEPZSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 23572000
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
(3aR,7aR)-1,3-bis[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 15177570
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119898947
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one (CID 10399733) is (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one is C[C@H](C(=O)N1CCCCC1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is QPDPZOMKMRLXCH-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(14(17)13-8-4-2-5-9-13)15(18)16-10-6-3-7-11-16/h2,4-5,8-9,12,14,17H,3,6-7,10-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one?
(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 10399733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).